smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
N=c1nn[n-]n1/N=C/c1c(Br)cc(Br)c(O)c1Br	ZINC000408735964	556202717	/nfs/dbraw/zinc/20/27/17/556202717.db2.gz	YVOWQCXHGUTBGV-XNJYKOPJSA-N	-1	2	440.881	1.961	40	30		IDEBLM
O=C1[N-]C(=O)C(=Nc2cccc3c(=O)[nH][nH]c(=O)c23)[C@H](c2nc3ccccc3s2)C1=O	ZINC000017189274	556672298	/nfs/dbraw/zinc/67/22/98/556672298.db2.gz	WIDJFCRTFAJYBM-UEMQISARSA-N	-1	2	433.405	1.733	40	30		IDEBLM
O=C1[N-]C(=O)C(=Nc2cccc3c(=O)[nH][nH]c(=O)c23)[C@H](c2nc3ccccc3s2)C1=O	ZINC000104277578	557323953	/nfs/dbraw/zinc/32/39/53/557323953.db2.gz	WIDJFCRTFAJYBM-NONDHBLVSA-N	-1	2	433.405	1.733	40	30		IDEBLM
O=C([O-])CCCCCNC(=O)C[C@@H]1S/C(=N/N=C2\C(=O)Nc3ccccc32)NC1=O	ZINC000015057047	556490076	/nfs/dbraw/zinc/49/00/76/556490076.db2.gz	MRYBHUGRTHOSSG-ZDUSSCGKSA-N	-1	2	431.474	1.082	40	30		IDEBLM
O=C([O-])CCCCCNC(=O)CC1S/C(=N/N=C2\C(=O)Nc3ccccc32)NC1=O	ZINC000015057047	556490084	/nfs/dbraw/zinc/49/00/84/556490084.db2.gz	MRYBHUGRTHOSSG-ZDUSSCGKSA-N	-1	2	431.474	1.082	40	30		IDEBLM
O=C(C=Cc1c(=O)[nH]c2ncccc2c1[O-])C(=O)C=Cc1c(O)[nH]c2ncccc2c1=O	ZINC000016430835	556607589	/nfs/dbraw/zinc/60/75/89/556607589.db2.gz	SDTJLCPHTHNMLD-KQQUZDAGSA-N	-1	2	430.376	1.436	40	30		IDEBLM
O=C1[N-]C(=O)C(=Nc2cccc3c(=O)[nH][nH]c(=O)c23)[C@@H](c2nc3ccccc3s2)C1=O	ZINC000017189271	556672246	/nfs/dbraw/zinc/67/22/46/556672246.db2.gz	WIDJFCRTFAJYBM-SBGWBMIRSA-N	-1	2	433.405	1.733	40	30		IDEBLM
O=C([O-])CCCCCNC(=O)C[C@H]1S/C(=N/N=C2\C(=O)Nc3ccccc32)NC1=O	ZINC000015057050	556490230	/nfs/dbraw/zinc/49/02/30/556490230.db2.gz	MRYBHUGRTHOSSG-CYBMUJFWSA-N	-1	2	431.474	1.082	40	30		IDEBLM
O=C([O-])CCCCCNC(=O)CC1S/C(=N/N=C2\C(=O)Nc3ccccc32)NC1=O	ZINC000015057050	556490232	/nfs/dbraw/zinc/49/02/32/556490232.db2.gz	MRYBHUGRTHOSSG-CYBMUJFWSA-N	-1	2	431.474	1.082	40	30		IDEBLM